Geometry & MOs

Info

ID:

112405

PubChem CID:

50405889

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-251.49

Dipole, Da:

7.61

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations